# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.25141308
_cell_length_b   14.96253327
_cell_length_c   49.54936111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.58781256
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H324
_cell_volume   11053.9767903
_cell_formula_units_Z   162
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H1  1  0.239183  0.367278  0.283121  1
  H  H2  1  0.905849  0.367278  0.283121  1
  H  H3  1  0.025580  0.273407  0.316455  1
  H  H4  1  0.572516  0.367278  0.283121  1
  H  H5  1  0.692247  0.273407  0.316455  1
  H  H6  1  0.632382  0.820342  0.299788  1
  H  H7  1  0.358914  0.273407  0.316455  1
  H  H8  1  0.299048  0.820342  0.299788  1
  H  H9  1  0.965715  0.820342  0.299788  1
  H  H10  1  0.217870  0.546874  0.308121  1
  H  H11  1  0.884536  0.546874  0.308121  1
  H  H12  1  0.824671  0.093810  0.291455  1
  H  H13  1  0.551203  0.546874  0.308121  1
  H  H14  1  0.491338  0.093810  0.291455  1
  H  H15  1  0.611069  0.999939  0.324788  1
  H  H16  1  0.158004  0.093810  0.291455  1
  H  H17  1  0.277735  0.999939  0.324788  1
  H  H18  1  0.944402  0.999939  0.324788  1
  H  H19  1  0.189418  0.489970  0.300200  1
  H  H20  1  0.856084  0.489970  0.300200  1
  H  H21  1  0.796219  0.036906  0.283534  1
  H  H22  1  0.522751  0.489970  0.300200  1
  H  H23  1  0.462886  0.036906  0.283534  1
  H  H24  1  0.582616  0.943034  0.316867  1
  H  H25  1  0.129552  0.036906  0.283534  1
  H  H26  1  0.249283  0.943034  0.316867  1
  H  H27  1  0.915950  0.943034  0.316867  1
  H  H28  1  0.210731  0.310374  0.275200  1
  H  H29  1  0.877397  0.310374  0.275200  1
  H  H30  1  0.997128  0.216502  0.308534  1
  H  H31  1  0.544064  0.310374  0.275200  1
  H  H32  1  0.663795  0.216502  0.308534  1
  H  H33  1  0.603929  0.763438  0.291867  1
  H  H34  1  0.330461  0.216502  0.308534  1
  H  H35  1  0.270596  0.763438  0.291867  1
  H  H36  1  0.937263  0.763438  0.291867  1
  H  H37  1  0.418779  0.726471  0.333121  1
  H  H38  1  0.085446  0.726471  0.333121  1
  H  H39  1  0.205177  0.632599  0.366455  1
  H  H40  1  0.752112  0.726471  0.333121  1
  H  H41  1  0.871843  0.632599  0.366455  1
  H  H42  1  0.811978  0.179535  0.349788  1
  H  H43  1  0.538510  0.632599  0.366455  1
  H  H44  1  0.478644  0.179535  0.349788  1
  H  H45  1  0.145311  0.179535  0.349788  1
  H  H46  1  0.397466  0.906067  0.358121  1
  H  H47  1  0.064133  0.906067  0.358121  1
  H  H48  1  0.004267  0.453003  0.341455  1
  H  H49  1  0.730799  0.906067  0.358121  1
  H  H50  1  0.670934  0.453003  0.341455  1
  H  H51  1  0.790665  0.359131  0.374788  1
  H  H52  1  0.337601  0.453003  0.341455  1
  H  H53  1  0.457331  0.359131  0.374788  1
  H  H54  1  0.123998  0.359131  0.374788  1
  H  H55  1  0.369014  0.849163  0.350200  1
  H  H56  1  0.035681  0.849163  0.350200  1
  H  H57  1  0.975815  0.396098  0.333534  1
  H  H58  1  0.702347  0.849163  0.350200  1
  H  H59  1  0.642482  0.396098  0.333534  1
  H  H60  1  0.762213  0.302227  0.366867  1
  H  H61  1  0.309148  0.396098  0.333534  1
  H  H62  1  0.428879  0.302227  0.366867  1
  H  H63  1  0.095546  0.302227  0.366867  1
  H  H64  1  0.390327  0.669566  0.325200  1
  H  H65  1  0.056994  0.669566  0.325200  1
  H  H66  1  0.176724  0.575695  0.358534  1
  H  H67  1  0.723660  0.669566  0.325200  1
  H  H68  1  0.843391  0.575695  0.358534  1
  H  H69  1  0.783526  0.122631  0.341867  1
  H  H70  1  0.510058  0.575695  0.358534  1
  H  H71  1  0.450192  0.122631  0.341867  1
  H  H72  1  0.116859  0.122631  0.341867  1
  H  H73  1  0.598375  0.085663  0.383121  1
  H  H74  1  0.265042  0.085663  0.383121  1
  H  H75  1  0.384773  0.991791  0.416455  1
  H  H76  1  0.931709  0.085663  0.383121  1
  H  H77  1  0.051439  0.991791  0.416455  1
  H  H78  1  0.991574  0.538727  0.399788  1
  H  H79  1  0.718106  0.991791  0.416455  1
  H  H80  1  0.658241  0.538727  0.399788  1
  H  H81  1  0.324907  0.538727  0.399788  1
  H  H82  1  0.577062  0.265259  0.408121  1
  H  H83  1  0.243729  0.265259  0.408121  1
  H  H84  1  0.183864  0.812195  0.391455  1
  H  H85  1  0.910396  0.265259  0.408121  1
  H  H86  1  0.850530  0.812195  0.391455  1
  H  H87  1  0.970261  0.718323  0.424788  1
  H  H88  1  0.517197  0.812195  0.391455  1
  H  H89  1  0.636928  0.718323  0.424788  1
  H  H90  1  0.303594  0.718323  0.424788  1
  H  H91  1  0.548610  0.208355  0.400200  1
  H  H92  1  0.215277  0.208355  0.400200  1
  H  H93  1  0.155411  0.755291  0.383534  1
  H  H94  1  0.881943  0.208355  0.400200  1
  H  H95  1  0.822078  0.755291  0.383534  1
  H  H96  1  0.941809  0.661419  0.416867  1
  H  H97  1  0.488745  0.755291  0.383534  1
  H  H98  1  0.608476  0.661419  0.416867  1
  H  H99  1  0.275142  0.661419  0.416867  1
  H  H100  1  0.569923  0.028759  0.375200  1
  H  H101  1  0.236590  0.028759  0.375200  1
  H  H102  1  0.356321  0.934887  0.408534  1
  H  H103  1  0.903256  0.028759  0.375200  1
  H  H104  1  0.022987  0.934887  0.408534  1
  H  H105  1  0.963122  0.481823  0.391867  1
  H  H106  1  0.689654  0.934887  0.408534  1
  H  H107  1  0.629789  0.481823  0.391867  1
  H  H108  1  0.296455  0.481823  0.391867  1
  H  H109  1  0.777971  0.444856  0.433121  1
  H  H110  1  0.444638  0.444856  0.433121  1
  H  H111  1  0.564369  0.350984  0.466455  1
  H  H112  1  0.111305  0.444856  0.433121  1
  H  H113  1  0.231036  0.350984  0.466455  1
  H  H114  1  0.171170  0.897920  0.449788  1
  H  H115  1  0.897702  0.350984  0.466455  1
  H  H116  1  0.837837  0.897920  0.449788  1
  H  H117  1  0.504504  0.897920  0.449788  1
  H  H118  1  0.756658  0.624452  0.458121  1
  H  H119  1  0.423325  0.624452  0.458121  1
  H  H120  1  0.363460  0.171388  0.441455  1
  H  H121  1  0.089992  0.624452  0.458121  1
  H  H122  1  0.030126  0.171388  0.441455  1
  H  H123  1  0.149857  0.077516  0.474788  1
  H  H124  1  0.696793  0.171388  0.441455  1
  H  H125  1  0.816524  0.077516  0.474788  1
  H  H126  1  0.483191  0.077516  0.474788  1
  H  H127  1  0.728206  0.567547  0.450200  1
  H  H128  1  0.394873  0.567547  0.450200  1
  H  H129  1  0.335008  0.114483  0.433534  1
  H  H130  1  0.061540  0.567547  0.450200  1
  H  H131  1  0.001674  0.114483  0.433534  1
  H  H132  1  0.121405  0.020612  0.466867  1
  H  H133  1  0.668341  0.114483  0.433534  1
  H  H134  1  0.788072  0.020612  0.466867  1
  H  H135  1  0.454738  0.020612  0.466867  1
  H  H136  1  0.749519  0.387951  0.425200  1
  H  H137  1  0.416186  0.387951  0.425200  1
  H  H138  1  0.535917  0.294080  0.458534  1
  H  H139  1  0.082853  0.387951  0.425200  1
  H  H140  1  0.202583  0.294080  0.458534  1
  H  H141  1  0.142718  0.841015  0.441867  1
  H  H142  1  0.869250  0.294080  0.458534  1
  H  H143  1  0.809385  0.841015  0.441867  1
  H  H144  1  0.476051  0.841015  0.441867  1
  H  H145  1  0.957568  0.804048  0.483121  1
  H  H146  1  0.624234  0.804048  0.483121  1
  H  H147  1  0.743965  0.710176  0.516455  1
  H  H148  1  0.290901  0.804048  0.483121  1
  H  H149  1  0.410632  0.710176  0.516455  1
  H  H150  1  0.350766  0.257112  0.499788  1
  H  H151  1  0.077299  0.710176  0.516455  1
  H  H152  1  0.017433  0.257112  0.499788  1
  H  H153  1  0.684100  0.257112  0.499788  1
  H  H154  1  0.936255  0.983644  0.508121  1
  H  H155  1  0.602921  0.983644  0.508121  1
  H  H156  1  0.543056  0.530580  0.491455  1
  H  H157  1  0.269588  0.983644  0.508121  1
  H  H158  1  0.209723  0.530580  0.491455  1
  H  H159  1  0.329453  0.436708  0.524788  1
  H  H160  1  0.876389  0.530580  0.491455  1
  H  H161  1  0.996120  0.436708  0.524788  1
  H  H162  1  0.662787  0.436708  0.524788  1
  H  H163  1  0.907803  0.926740  0.500200  1
  H  H164  1  0.574469  0.926740  0.500200  1
  H  H165  1  0.514604  0.473676  0.483534  1
  H  H166  1  0.241136  0.926740  0.500200  1
  H  H167  1  0.181270  0.473676  0.483534  1
  H  H168  1  0.301001  0.379804  0.516867  1
  H  H169  1  0.847937  0.473676  0.483534  1
  H  H170  1  0.967668  0.379804  0.516867  1
  H  H171  1  0.634335  0.379804  0.516867  1
  H  H172  1  0.929116  0.747144  0.475200  1
  H  H173  1  0.595782  0.747144  0.475200  1
  H  H174  1  0.715513  0.653272  0.508534  1
  H  H175  1  0.262449  0.747144  0.475200  1
  H  H176  1  0.382180  0.653272  0.508534  1
  H  H177  1  0.322314  0.200208  0.491867  1
  H  H178  1  0.048846  0.653272  0.508534  1
  H  H179  1  0.988981  0.200208  0.491867  1
  H  H180  1  0.655648  0.200208  0.491867  1
  H  H181  1  0.137164  0.163240  0.533121  1
  H  H182  1  0.803831  0.163240  0.533121  1
  H  H183  1  0.923561  0.069369  0.566455  1
  H  H184  1  0.470497  0.163240  0.533121  1
  H  H185  1  0.590228  0.069369  0.566455  1
  H  H186  1  0.530363  0.616305  0.549788  1
  H  H187  1  0.256895  0.069369  0.566455  1
  H  H188  1  0.197029  0.616305  0.549788  1
  H  H189  1  0.863696  0.616305  0.549788  1
  H  H190  1  0.115851  0.342837  0.558121  1
  H  H191  1  0.782518  0.342837  0.558121  1
  H  H192  1  0.722652  0.889773  0.541455  1
  H  H193  1  0.449184  0.342837  0.558121  1
  H  H194  1  0.389319  0.889773  0.541455  1
  H  H195  1  0.509050  0.795901  0.574788  1
  H  H196  1  0.055986  0.889773  0.541455  1
  H  H197  1  0.175716  0.795901  0.574788  1
  H  H198  1  0.842383  0.795901  0.574788  1
  H  H199  1  0.087399  0.285932  0.550200  1
  H  H200  1  0.754065  0.285932  0.550200  1
  H  H201  1  0.694200  0.832868  0.533534  1
  H  H202  1  0.420732  0.285932  0.550200  1
  H  H203  1  0.360867  0.832868  0.533534  1
  H  H204  1  0.480598  0.738997  0.566867  1
  H  H205  1  0.027533  0.832868  0.533534  1
  H  H206  1  0.147264  0.738997  0.566867  1
  H  H207  1  0.813931  0.738997  0.566867  1
  H  H208  1  0.108712  0.106336  0.525200  1
  H  H209  1  0.775378  0.106336  0.525200  1
  H  H210  1  0.895109  0.012464  0.558534  1
  H  H211  1  0.442045  0.106336  0.525200  1
  H  H212  1  0.561776  0.012464  0.558534  1
  H  H213  1  0.501911  0.559400  0.541867  1
  H  H214  1  0.228443  0.012464  0.558534  1
  H  H215  1  0.168577  0.559400  0.541867  1
  H  H216  1  0.835244  0.559400  0.541867  1
  H  H217  1  0.316760  0.522433  0.583121  1
  H  H218  1  0.983427  0.522433  0.583121  1
  H  H219  1  0.103158  0.428561  0.616455  1
  H  H220  1  0.650094  0.522433  0.583121  1
  H  H221  1  0.769824  0.428561  0.616455  1
  H  H222  1  0.709959  0.975497  0.599788  1
  H  H223  1  0.436491  0.428561  0.616455  1
  H  H224  1  0.376626  0.975497  0.599788  1
  H  H225  1  0.043292  0.975497  0.599788  1
  H  H226  1  0.295447  0.702029  0.608121  1
  H  H227  1  0.962114  0.702029  0.608121  1
  H  H228  1  0.902248  0.248965  0.591455  1
  H  H229  1  0.628781  0.702029  0.608121  1
  H  H230  1  0.568915  0.248965  0.591455  1
  H  H231  1  0.688646  0.155093  0.624788  1
  H  H232  1  0.235582  0.248965  0.591455  1
  H  H233  1  0.355313  0.155093  0.624788  1
  H  H234  1  0.021979  0.155093  0.624788  1
  H  H235  1  0.266995  0.645125  0.600200  1
  H  H236  1  0.933662  0.645125  0.600200  1
  H  H237  1  0.873796  0.192061  0.583534  1
  H  H238  1  0.600328  0.645125  0.600200  1
  H  H239  1  0.540463  0.192061  0.583534  1
  H  H240  1  0.660194  0.098189  0.616867  1
  H  H241  1  0.207130  0.192061  0.583534  1
  H  H242  1  0.326860  0.098189  0.616867  1
  H  H243  1  0.993527  0.098189  0.616867  1
  H  H244  1  0.288308  0.465529  0.575200  1
  H  H245  1  0.954975  0.465529  0.575200  1
  H  H246  1  0.074706  0.371657  0.608534  1
  H  H247  1  0.621641  0.465529  0.575200  1
  H  H248  1  0.741372  0.371657  0.608534  1
  H  H249  1  0.681507  0.918593  0.591867  1
  H  H250  1  0.408039  0.371657  0.608534  1
  H  H251  1  0.348173  0.918593  0.591867  1
  H  H252  1  0.014840  0.918593  0.591867  1
  H  H253  1  0.496356  0.881625  0.633121  1
  H  H254  1  0.163023  0.881625  0.633121  1
  H  H255  1  0.282754  0.787754  0.666455  1
  H  H256  1  0.829690  0.881625  0.633121  1
  H  H257  1  0.949421  0.787754  0.666455  1
  H  H258  1  0.889555  0.334690  0.649788  1
  H  H259  1  0.616087  0.787754  0.666455  1
  H  H260  1  0.556222  0.334690  0.649788  1
  H  H261  1  0.222888  0.334690  0.649788  1
  H  H262  1  0.475043  0.061222  0.658121  1
  H  H263  1  0.141710  0.061222  0.658121  1
  H  H264  1  0.081845  0.608157  0.641455  1
  H  H265  1  0.808377  0.061222  0.658121  1
  H  H266  1  0.748511  0.608157  0.641455  1
  H  H267  1  0.868242  0.514286  0.674788  1
  H  H268  1  0.415178  0.608157  0.641455  1
  H  H269  1  0.534909  0.514286  0.674788  1
  H  H270  1  0.201575  0.514286  0.674788  1
  H  H271  1  0.446591  0.004317  0.650200  1
  H  H272  1  0.113258  0.004317  0.650200  1
  H  H273  1  0.053393  0.551253  0.633534  1
  H  H274  1  0.779925  0.004317  0.650200  1
  H  H275  1  0.720059  0.551253  0.633534  1
  H  H276  1  0.839790  0.457381  0.666867  1
  H  H277  1  0.386726  0.551253  0.633534  1
  H  H278  1  0.506457  0.457381  0.666867  1
  H  H279  1  0.173123  0.457381  0.666867  1
  H  H280  1  0.467904  0.824721  0.625200  1
  H  H281  1  0.134571  0.824721  0.625200  1
  H  H282  1  0.254302  0.730849  0.658534  1
  H  H283  1  0.801238  0.824721  0.625200  1
  H  H284  1  0.920968  0.730849  0.658534  1
  H  H285  1  0.861103  0.277785  0.641867  1
  H  H286  1  0.587635  0.730849  0.658534  1
  H  H287  1  0.527770  0.277785  0.641867  1
  H  H288  1  0.194436  0.277785  0.641867  1
  H  H289  1  0.675953  0.240818  0.683121  1
  H  H290  1  0.342619  0.240818  0.683121  1
  H  H291  1  0.462350  0.146946  0.716455  1
  H  H292  1  0.009286  0.240818  0.683121  1
  H  H293  1  0.129017  0.146946  0.716455  1
  H  H294  1  0.069151  0.693882  0.699788  1
  H  H295  1  0.795683  0.146946  0.716455  1
  H  H296  1  0.735818  0.693882  0.699788  1
  H  H297  1  0.402485  0.693882  0.699788  1
  H  H298  1  0.654640  0.420414  0.708121  1
  H  H299  1  0.321306  0.420414  0.708121  1
  H  H300  1  0.261441  0.967350  0.691455  1
  H  H301  1  0.987973  0.420414  0.708121  1
  H  H302  1  0.928108  0.967350  0.691455  1
  H  H303  1  0.047838  0.873478  0.724788  1
  H  H304  1  0.594774  0.967350  0.691455  1
  H  H305  1  0.714505  0.873478  0.724788  1
  H  H306  1  0.381172  0.873478  0.724788  1
  H  H307  1  0.626187  0.363510  0.700200  1
  H  H308  1  0.292854  0.363510  0.700200  1
  H  H309  1  0.232989  0.910446  0.683534  1
  H  H310  1  0.959521  0.363510  0.700200  1
  H  H311  1  0.899655  0.910446  0.683534  1
  H  H312  1  0.019386  0.816574  0.716867  1
  H  H313  1  0.566322  0.910446  0.683534  1
  H  H314  1  0.686053  0.816574  0.716867  1
  H  H315  1  0.352720  0.816574  0.716867  1
  H  H316  1  0.647500  0.183914  0.675200  1
  H  H317  1  0.314167  0.183914  0.675200  1
  H  H318  1  0.433898  0.090042  0.708534  1
  H  H319  1  0.980834  0.183914  0.675200  1
  H  H320  1  0.100565  0.090042  0.708534  1
  H  H321  1  0.040699  0.636978  0.691867  1
  H  H322  1  0.767231  0.090042  0.708534  1
  H  H323  1  0.707366  0.636978  0.691867  1
  H  H324  1  0.374033  0.636978  0.691867  1
